2-amino-3-methyl-5,5-dipropylimidazol-4-one

C10H19N3O — CID 45072263

IUPAC2-amino-3-methyl-5,5-dipropylimidazol-4-one
SMILESCCCC1(CCC)N=C(N)N(C)C1=O
InChIInChI=1S/C10H19N3O/c1-4-6-10(7-5-2)8(14)13(3)9(11)12-10/h4-7H2,1-3H3,(H2,11,12)
InChIKeyPFJZOGYFCCBYGL-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.11
Rot. Bonds4

About 2-amino-3-methyl-5,5-dipropylimidazol-4-one

2-amino-3-methyl-5,5-dipropylimidazol-4-one (PubChem CID 45072263) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-amino-3-methyl-5,5-dipropylimidazol-4-one.

Molecular Properties

Compound Name2-amino-3-methyl-5,5-dipropylimidazol-4-one
PubChem CID45072263
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-amino-3-methyl-5,5-dipropylimidazol-4-one
SMILESCCCC1(CCC)N=C(N)N(C)C1=O
InChIInChI=1S/C10H19N3O/c1-4-6-10(7-5-2)8(14)13(3)9(11)12-10/h4-7H2,1-3H3,(H2,11,12)
InChIKeyPFJZOGYFCCBYGL-UHFFFAOYSA-N
XLogP1.11
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-5,5-dipropylimidazol-4-one?
The IUPAC name of 2-amino-3-methyl-5,5-dipropylimidazol-4-one (CID 45072263) is 2-amino-3-methyl-5,5-dipropylimidazol-4-one.
What is the SMILES notation for 2-amino-3-methyl-5,5-dipropylimidazol-4-one?
The canonical SMILES for 2-amino-3-methyl-5,5-dipropylimidazol-4-one is CCCC1(CCC)N=C(N)N(C)C1=O.
What is the InChIKey of 2-amino-3-methyl-5,5-dipropylimidazol-4-one?
The InChIKey is PFJZOGYFCCBYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-4-6-10(7-5-2)8(14)13(3)9(11)12-10/h4-7H2,1-3H3,(H2,11,12).
What are the key properties of 2-amino-3-methyl-5,5-dipropylimidazol-4-one?
2-amino-3-methyl-5,5-dipropylimidazol-4-one has a molecular weight of 197.28 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-5,5-dipropylimidazol-4-one is sourced from PubChem (CID 45072263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).